2-[[5-(4-dodecoxyphenyl)-2-propanoyloxy-pentoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium

Systemtic Name: 2-[[5-(4-dodecoxyphenyl)-2-propanoyloxy-pentoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium Openeye Name: 2-[[5-(4-dodecoxyphenyl)-2-propanoyloxy-pentoxy]-hydroxy-phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[[5-(4-dodecoxyphenyl)-2-(1-oxopropoxy)pentoxy]-hydroxyphosphino]oxyethyl-methylammonium IUPAC Name: 2-[[5-(4-dodecoxyphenyl)-2-propanoyloxypentoxy]-hydroxyphosphanyl]oxyethyl-methylazanium Traditional Name: 2-[hydroxy-[5-(4-lauryloxyphenyl)-2-propionyloxy-pentoxy]phosphino]oxyethyl-methyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CCCC(COP(O)OCC[NH2+]C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CCCC(COP(O)OCC[NH2+]C)OC(=O)CC

InChI

InChI=1S/C29H52NO6P/c1-4-6-7-8-9-10-11-12-13-14-23-33-27-20-18-26(19-21-27)16-15-17-28(36-29(31)5-2)25-35-37(32)34-24-22-30-3/h18-21,28,30,32H,4-17,22-25H2,1-3H3/p+1